N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide

C27H21FN6O3S — CID 137114384

IUPACN-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)nc45)cc23)c1
InChIInChI=1S/C27H21FN6O3S/c1-38(36,37)30-12-15-7-16(9-18(28)8-15)20-3-2-4-23-21(20)11-25(31-23)27-26-24(33-34-27)6-5-22(32-26)17-10-19(35)14-29-13-17/h2-11,13-14,30-31,35H,12H2,1H3,(H,33,34)
InChIKeyMEKZPTNYBNOXJZ-UHFFFAOYSA-N
MW528.57 g/mol
LogP4.73
Rot. Bonds6

About N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide

N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide (PubChem CID 137114384) has the molecular formula C27H21FN6O3S and a molecular weight of 528.57 g/mol. Its IUPAC name is N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide
PubChem CID137114384
Molecular FormulaC27H21FN6O3S
Molecular Weight528.57 g/mol
Exact Mass528.14
IUPAC NameN-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)nc45)cc23)c1
InChIInChI=1S/C27H21FN6O3S/c1-38(36,37)30-12-15-7-16(9-18(28)8-15)20-3-2-4-23-21(20)11-25(31-23)27-26-24(33-34-27)6-5-22(32-26)17-10-19(35)14-29-13-17/h2-11,13-14,30-31,35H,12H2,1H3,(H,33,34)
InChIKeyMEKZPTNYBNOXJZ-UHFFFAOYSA-N
XLogP4.73
TPSA136.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.57
LogP ≤ 54.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 137103019
CID 137103019
CID 136394373
CID 136394373
CID 136394374
CID 136394374
CID 136936767
CID 136936767
CID 136936782
CID 136936782
CID 136937010
CID 136937010
CID 136937030
CID 136937030
CID 136937202
CID 136937202
CID 136937347
CID 136937347
CID 136937800
CID 136937800
CID 136938049
CID 136938049
CID 136942908
CID 136942908

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide (CID 137114384) is N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)nc45)cc23)c1.
What is the InChIKey of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is MEKZPTNYBNOXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN6O3S/c1-38(36,37)30-12-15-7-16(9-18(28)8-15)20-3-2-4-23-21(20)11-25(31-23)27-26-24(33-34-27)6-5-22(32-26)17-10-19(35)14-29-13-17/h2-11,13-14,30-31,35H,12H2,1H3,(H,33,34).
What are the key properties of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide?
N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 528.57 g/mol, XLogP of 4.73, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 137114384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).